SCHEMBL10421199

SCHEMBL10421199

COc1cc(OC)cc(OCc2cccc(C(=O)O)c2O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HMGB1 P09429 1/20 0.48
▸ MRGPRX4 Q96LA9 5/20 0.47
▸ RAB9A P51151 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ HIF1A Q16665 2/20 0.44
▸ POLB P06746 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ CALM1 P0DP23 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ APEX1 P27695 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42

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
SCHEMBL10422132 0.95 HMGB1 (0.43) HMGB1MRGPRX4RAB9ATP53PKM
SCHEMBL10697768 0.89 MRGPRX4 (0.48) HMGB1MRGPRX4RAB9ATP53PKM
SCHEMBL10420804 0.83 HMGB1 (0.46) HMGB1MRGPRX4RAB9ATP53PKM
SCHEMBL10421183 0.83 MRGPRX4 (0.55) HMGB1MRGPRX4RAB9ATP53NPC1
SCHEMBL10422137 0.82 PTPN1 (0.52) HMGB1MRGPRX4PTGER4
SCHEMBL10422123 0.81 HMGB1 (0.47) HMGB1MRGPRX4KDM4EALDH1A1HPGD
SCHEMBL28234304 0.80 HMGB1 (0.57) HMGB1MRGPRX4TP53HIF1AKDM4E
SCHEMBL10421120 0.79 SMN1; SMN2 (0.42) HMGB1MRGPRX4SMN1; SMN2KDM4EL3MBTL1
SCHEMBL10420779 0.79 MCL1 (0.47) HMGB1MRGPRX4RAB9ATP53HIF1A
SCHEMBL10421128 0.79 PTGER4 (0.56) HMGB1MRGPRX4RAB9AHIF1ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4918047-A CONTAINING OXYSALICYLIC ACID DERIVATIVE AND ZINC COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1990-04-17 — — US disclosed
EP-0253666-A2 Heat-sensitive recording material containing dye-forming components FUJI PHOTO FILM CO., LTD. (JP) 1988-01-20 — — EP disclosed
Send feedback