SCHEMBL29918716

SCHEMBL29918716

CCCCOc1cccc(-c2ccc(-c3cc(C(=O)[O-])c4cc(F)ccc4n3)cc2)c1.[Na+]

nearest known ligand 0.58

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 9/20 0.58
▸ PLA2G2A P14555 4/20 0.52
▸ KDM4E B2RXH2 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ GAA P10253 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ PDE10A Q9Y233 1/20 0.48
▸ EIF4A1 P60842 3/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23576324 1.00 DHODH (0.58) DHODHPLA2G2AKDM4EALDH1A1LMNA
SCHEMBL23752064 0.92 PLA2G2A (0.60) DHODHPLA2G2AKDM4EALDH1A1LMNA
SCHEMBL29918673 0.92 DHODH (0.70) DHODHPLA2G2AKDM4EALDH1A1LMNA
SCHEMBL23576326 0.92 DHODH (0.70) DHODHPLA2G2AKDM4EALDH1A1LMNA
SCHEMBL26076029 0.90 DHODH (0.59) DHODHPLA2G2AKDM4EALDH1A1LMNA
SCHEMBL23752060 0.90 PLA2G2A (0.57) DHODHPLA2G2AKDM4EALDH1A1LMNA
SCHEMBL28885846 0.84 DHODH (0.50) DHODHPLA2G2AKDM4ELMNAMEN1
SCHEMBL23752061 0.84 PLA2G2A (0.58) DHODHPLA2G2AKDM4EALDH1A1LMNA
SCHEMBL26073784 0.83 DHODH (0.52) DHODHPLA2G2AKDM4EALDH1A1LMNA
SCHEMBL23590070 0.83 DHODH (0.68) DHODHPLA2G2AKDM4EALDH1A1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025227007-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF DIHYDROOROTATE DEHYDROGENASE OHIO STATE INNOVATION FOUNDATION (US) 2025-10-30 — — WO disclosed
CN-117915938-A Methods and compositions for inhibiting dihydroorotate dehydrogenase in combination with anti-CD 47-sirpa therapeutic agents 俄亥俄州国家创新基金会 2024-04-19 — — CN disclosed
CN-115335052-A Methods and compositions for inhibiting dihydroorotate dehydrogenase in combination with anti-CD 38 therapeutics 俄亥俄州国家创新基金会 2022-11-11 — — CN disclosed
EP-4081219-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF DIHYDROOROTATE DEHYDROGENASE IN COMBINATION WITH AN ANTI-CD38 THERAPEUTIC AGENT Ohio State Innovation Foundation (US) 2022-11-02 — — EP disclosed
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