SCHEMBL7715856

SCHEMBL7715856

BrCc1ccc(OCc2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ PTGS1 P23219 1/20 0.53
▸ SLC6A2 P23975 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ PTGS2 P35354 1/20 0.53
▸ SLC6A3 Q01959 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ MAOB P27338 3/20 0.53
▸ BCHE P06276 1/20 0.53
▸ GAA P10253 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ MAOA P21397 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ LTA4H P09960 1/20 0.49
▸ EPHX2 P34913 1/20 0.49
▸ CA12 O43570 1/20 0.49

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
SCHEMBL282581 0.89 LMNA (0.64) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL13258018 0.84 GSTP1 (0.58) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL1437775 0.84 APP (0.64) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL10497967 0.83 KCNA3 (0.53) HDAC6L3MBTL1LTA4HFFAR1TRPA1
SCHEMBL8885157 0.83 LTA4H (0.50) CYP1A2CYP2C19MAPTRAB9ASMN1; SMN2
SCHEMBL25297779 0.83 LMNA (0.53) LMNACYP1A2PTGS1SLC6A2CYP2C19
Hydrochloric Acid SCHEMBL2068920 0.83 MAOB (0.57) LMNACYP1A2PTGS1SLC6A2CYP2C19
Benzyl Bromide SCHEMBL1043932 0.82 TSHR (0.70) MAOBGAASMN1; SMN2TRPA1ALDH1A1
SCHEMBL1044357 0.81 LTA4H (0.53) CYP1A2CYP2C19L3MBTL1LTA4HCA12
SCHEMBL30705746 0.80 TRPA1 (0.59) MAOBGAAMAOATRPA1ALDH1A1

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-6376524-B1 ANTIALLERGENS, ANTIHISTAMINES SUNESIS PHARMACEUTICALS, INC. 2002-04-23 — — US disclosed
WO-2001098245-A2 TRIPHENYL COMPOUNDS AS INTERLEUKIN-4 ANTAGONISTS SUNESIS PHARMACEUTICALS, INC. (US) 2001-12-27 — — WO disclosed
Send feedback