SCHEMBL31545359

SCHEMBL31545359

CCCCCc1cc(O)c2c(c1)OCCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 3/20 0.48
▸ PTGS2 P35354 3/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ HTT P42858 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CNR1 P21554 7/20 0.41
▸ CNR2 P34972 7/20 0.41
▸ ABHD12 Q8N2K0 3/20 0.41
▸ ABHD6 Q9BV23 3/20 0.41
▸ FAAH O00519 2/20 0.41
▸ NR1I2 O75469 1/20 0.41

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
SCHEMBL20852361 1.00 TRPV1 (0.48) TRPV1PTGS2CYP3A4HTTNPC1
SCHEMBL22942198 0.75 TRPV1 (0.50) TRPV1CNR1CNR2ABHD12ABHD6
SCHEMBL31545281 0.75 TRPV1 (0.50) TRPV1CNR1CNR2ABHD12ABHD6
SCHEMBL31545625 0.75 TRPV1 (0.50) TRPV1CNR1CNR2ABHD12ABHD6
SCHEMBL18509001 0.73 TRPA1 (0.38) TRPV1HTTNPC1HPGDRAB9A
SCHEMBL22882717 0.73 KMT2A (0.44) NPC1MAPK1RAB9AALDH1A1SMN1; SMN2
SCHEMBL22882740 0.73 KMT2A (0.44) NPC1MAPK1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10033616 0.72 FFAR4 (0.37) NPC1HPGDRAB9AALDH1A1GAA
SCHEMBL21495178 0.71 SMN1; SMN2 (0.35) HTTNPC1HPGDRAB9AALDH1A1
SCHEMBL3190996 0.71 MAOA (0.37) PTGS2CYP3A4HTTNPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250090554-A1 A METHOD OF TREATING DEPRESSION BY IMMUNE MODULATION MYND LIFE SCIENCES INC (CA) 2025-03-20 — — US disclosed
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