SCHEMBL2441288

SCHEMBL2441288

C=CC(=O)CCc1c(C)cccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS2 Q9H2K2 1/20 0.41
▸ POLB P06746 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ EGFR P00533 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HDAC3 O15379 2/20 0.37
▸ HDAC4 P56524 2/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC7 Q8WUI4 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC10 Q969S8 2/20 0.37
▸ HDAC11 Q96DB2 2/20 0.37
▸ HDAC8 Q9BY41 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ HDAC9 Q9UKV0 2/20 0.37
▸ HDAC5 Q9UQL6 2/20 0.37
▸ ALDH1A1 P00352 4/20 0.35
▸ CYP1A2 P05177 3/20 0.35

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
SCHEMBL2441173 0.81 GPR17 (0.38) POLBTSHRLMNAHPGDALDH1A1
SCHEMBL2441467 0.80 NOTUM (0.48) HPGDALDH1A1MEN1KMT2AALOX12
SCHEMBL9651251 0.79 IAPP (0.37) TSHRLMNAALDH1A1TGM2GPR52
SCHEMBL2059392 0.76 EGFR (0.55) EGFRFFAR1NPC1RAB9APDGFRB
SCHEMBL8096178 0.72 CYP2A6 (0.45) TSHRLMNAALDH1A1CYP1A2MEN1
SCHEMBL22522189 0.72 FFAR1 (0.50) ALDH1A1CYP1A2TGM2L3MBTL1FFAR1
SCHEMBL2059540 0.72 TSHR (0.50) TNKS2POLBTSHRLMNAEGFR
SCHEMBL22882621 0.71 ALDH1A1 (0.36) TNKS2POLBTSHRLMNAEGFR
SCHEMBL4424144 0.71 GPR52 (0.59) TSHRHDAC3HDAC4HDAC1HDAC7
SCHEMBL16218017 0.70 CYP4F2 (0.56) LMNAKDM4EHPGDALDH1A1MEN1

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
EP-2362765-A2 PERFUME SYSTEMS The Procter & Gamble Company (US) 2011-09-07 — — EP claimed
WO-2010065446-A2 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2010-06-10 — — WO claimed
Send feedback