SCHEMBL28048221

SCHEMBL28048221

O=C(C(c1ccc(O)cc1)C(O)c1ccc(O)cc1)C(c1ccc(O)cc1)C(O)c1ccc(O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 1/20 0.44
▸ ESR1 P03372 9/20 0.41
▸ ESR2 Q92731 8/20 0.41
▸ PDCD1 Q15116 1/20 0.41
▸ CD274 Q9NZQ7 1/20 0.41
▸ HIF1A Q16665 3/20 0.40
▸ TAAR1 Q96RJ0 2/20 0.40
▸ HTR3A P46098 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ ALOX15 P16050 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ LMNA P02545 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ ADRB2 P07550 2/20 0.37

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
SCHEMBL30943794 0.82 HDAC3 (0.45) LMNAHTT
SCHEMBL28338447 0.80 FFAR2 (0.47) TSHRNFKB1ALOX15APEX1LMNA
SCHEMBL27906641 0.79 CYP2D6 (0.58) SRCHIF1ATSHRNFKB1ALOX15
SCHEMBL3649813 0.77 ESR1 (0.55) ESR1ESR2PDCD1CD274HIF1A
SCHEMBL31359586 0.75 ALDH1A1 (0.44) SRCTSHRTDP1LMNAMAPT
SCHEMBL27754462 0.74 LMNA (0.49) HIF1AKDM4ELMNACYP2D6
SCHEMBL9701361 0.73 CYP2D6 (0.64) SRCESR1ESR2PDCD1CD274
SCHEMBL28561150 0.73 SRC (0.48) SRCESR1ESR2PDCD1CD274
SCHEMBL27418947 0.72 LTA4H (0.47) TAAR1CYP3A4
SCHEMBL21048268 0.72 ESR1 (0.50) ESR1ESR2PDCD1CD274HIF1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105263987-A Processes for enhancing flame retardance and chemical resistance of polymers SABIC GLOBAL TECHNOLOGIES BV 2016-01-20 — — CN disclosed
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