SCHEMBL7848942

SCHEMBL7848942

COc1ccc(C=C2C(=O)C3CC2C2CCCC32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
CYP1A2 P05177 1/20 0.46
MEN1 O00255 1/20 0.43
PIM1 P11309 1/20 0.41
AKR1B1 P15121 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2A6 P11509 1/20 0.41
DYRK1A Q13627 5/20 0.41
DYRK1B Q9Y463 4/20 0.41
CLK1 P49759 4/20 0.41
EGFR P00533 1/20 0.41
MAPT P10636 1/20 0.40
CHRNA7 P36544 1/20 0.40
METAP1 P53582 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
GSK3B P49841 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL14080309 0.88 MAPT (0.36) KMT2ANPC1RAB9ACYP1A2ALDH1A1
SCHEMBL7840491 0.83 NPC1 (0.54) KMT2ANPC1MEN1PIM1PIM2
SCHEMBL7848396 0.81 MAPT (0.45) CYP1A2PIM1PIM2ALDH1A1CYP2A6
SCHEMBL7848283 0.81 MAPT (0.45) CYP1A2PIM1PIM2ALDH1A1CYP2A6
SCHEMBL13299357 0.76 NPC1 (0.37) KMT2ANPC1RAB9AALDH1A1MAPT
SCHEMBL7848281 0.76 NPC1 (0.42) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL28902601 0.75 KMT2A (0.50) KMT2ANPC1RAB9ACYP1A2MEN1
SCHEMBL3438538 0.71 NPC1 (0.64) KMT2ANPC1RAB9ACYP1A2MEN1
SCHEMBL3438540 0.71 NPC1 (0.64) KMT2ANPC1RAB9ACYP1A2MEN1
SCHEMBL3438260 0.70 CYP1A2 (0.50) KMT2ANPC1RAB9ACYP1A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0754445-B1 Photostable cosmetic light screening compositions HOFFMANN LA ROCHE (CH) 2001-10-24 EP claimed
US-5840282-A SUNSCREEN AGENTS; BENZYLIDENE-TYPE STABILIZER GIVAUDAN-ROURE (INTERNATIONAL) SA (CH) 1998-11-24 US claimed
EP-0754445-A2 Photostable cosmetic light screening compositions GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1997-01-22 EP claimed
EP-0754445-B1 Photostable cosmetic light screening compositions HOFFMANN LA ROCHE (CH) 2001-10-24 EP disclosed
EP-0754445-A2 Photostable cosmetic light screening compositions GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1997-01-22 EP disclosed