SCHEMBL2441467

SCHEMBL2441467

C=CC(=O)CCc1ccccc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.48
▸ TAAR1 Q96RJ0 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.43
▸ GPR84 Q9NQS5 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ HPGD P15428 2/20 0.40
▸ CTBP2 P56545 1/20 0.40
▸ NR3C2 P08235 1/20 0.40
▸ PTGER1 P34995 1/20 0.40
▸ PTGER4 P35408 1/20 0.40
▸ PTGER3 P43115 1/20 0.40
▸ PTGER2 P43116 1/20 0.40
▸ CYP4F2 P78329 1/20 0.39
▸ CYP4A11 Q02928 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 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
SCHEMBL14614108 0.84 CYP4F2 (0.44) ALDH1A1GAAPTGER1PTGER4PTGER3
SCHEMBL705718 0.81 CTBP2 (0.50) TAAR1ALDH1A1KMT2AGAAHPGD
SCHEMBL9308692 0.80 TAAR1 (0.47) TAAR1NPC1RAB9A
SCHEMBL12802585 0.80 TAAR1 (0.47) NOTUMTAAR1ALDH1A1GPR84KMT2A
SCHEMBL2441288 0.80 TNKS2 (0.41) ALDH1A1KMT2AHPGDMEN1MAPT
SCHEMBL21894227 0.79 TAAR1 (0.49) TAAR1ALDH1A1KMT2AHPGDPTGER1
SCHEMBL12956480 0.79 NPC1 (0.42) ALDH1A1KMT2AHPGDMEN1MAPT
SCHEMBL7331759 0.79 TAAR1 (0.54) NOTUMTAAR1ALDH1A1GPR84KMT2A
SCHEMBL2442046 0.79 NOTUM (0.36) NOTUMTAAR1ALDH1A1GPR84KMT2A
SCHEMBL4423947 0.78 MTNR1A (0.53) TAAR1KMT2ANPC1RAB9AHTT

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
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