SCHEMBL7814092

SCHEMBL7814092

Cc1ccc(C(=O)c2ccc(SCc3ccccc3)cc2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.47
HAO1 Q9UJM8 1/20 0.46
HDAC1 Q13547 3/20 0.42
HDAC6 Q9UBN7 2/20 0.42
ALDH1A1 P00352 3/20 0.42
HDAC3 O15379 2/20 0.42
NCOR1 O75376 2/20 0.42
HDAC2 Q92769 2/20 0.42
NPSR1 Q6W5P4 2/20 0.41
FFAR1 O14842 1/20 0.41
HTT P42858 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
NPC1 O15118 2/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
HDAC4 P56524 1/20 0.40

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
SCHEMBL7810437 0.90 HAO1 (0.46) ACHEHAO1HDAC1HDAC6ALDH1A1
SCHEMBL8397416 0.90 ALDH1A1 (0.47) ACHEHAO1HDAC1HDAC6ALDH1A1
SCHEMBL7808684 0.84 ACHE (0.65) ACHEHAO1HDAC1HDAC3NCOR1
SCHEMBL7814097 0.82 ACHE (0.56) ACHEHDAC1HDAC6ALDH1A1NPSR1
SCHEMBL7811166 0.82 HAO1 (0.54) HAO1ALDH1A1NPSR1HTTNPC1
SCHEMBL8488478 0.82 HTT (0.56) HAO1HDAC1HDAC6ALDH1A1HDAC3
SCHEMBL7813946 0.82 HAO1 (0.46) ACHEHAO1HDAC1ALDH1A1HDAC3
SCHEMBL5315574 0.81 HAO1 (0.59) HAO1HDAC1ALDH1A1HDAC3NCOR1
SCHEMBL13176760 0.81 HDAC1 (0.56) ACHEHDAC1HDAC6ALDH1A1NPSR1
SCHEMBL7814223 0.81 CNR2 (0.53) HAO1ALDH1A1NPSR1HTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891345-B1 NOVEL FURAN DIARYLMETHYLIDENE DERIVATIVES, METHOD FOR THEIR PREPARATION AND THERAPEUTICAL USES THEREOF UNION PHARMA SCIENT APPL (FR) 2001-08-16 EP disclosed
US-6180651-B1 ANTIINFLAMMATORY AGENTS; ANALGESICS BRISTOL-MYERS SQUIBB 2001-01-30 US disclosed
WO-2000014082-A1 DIARYLMETHYLIDENE FURAN DERIVATIVES AS DRUGS WITH ANTI-INFLAMMATORY, ANALGESIC AND CHEMOPREVENTIVE PROPERTIES LABORATORIES UPSA (FR) 2000-03-16 WO disclosed
EP-0915850-A1 NOVEL CARBOCYCLIC DIARYLMETHYLENE DERIVATIVES, METHODS FOR PREPARING SAME, AND THERAPEUTICAL USES THEREOF LABORATOIRES UPSA (FR) 1999-05-19 EP disclosed
EP-0891345-A1 NOVEL FURAN DIARYLMETHYLIDENE DERIVATIVES, METHOD FOR THEIR PREPARATION AND THERAPEUTICAL USES THEREOF LABORATOIRES UPSA (FR) 1999-01-20 EP disclosed
US-5807873-A Diarylmethylidenefuran derivatives and their uses in therapeutics LABORATORIES UPSA (FR) 1998-09-15 US disclosed
WO-1998005643-A1 NOVEL CARBOCYCLIC DIARYLMETHYLENE DERIVATIVES, METHODS FOR PREPARING SAME, AND THERAPEUTICAL USES THEREOF LABORATOIRES UPSA (FR) 1998-02-12 WO disclosed
US-5686460-A ANTIINFLAMMATORY AGENTS, ANALGESICS LABORATOIRES UPSA (FR) 1997-11-11 US disclosed
WO-1997037984-A1 NOVEL FURAN DIARYLMETHYLIDENE DERIVATIVES, METHOD FOR THEIR PREPARATION AND THERAPEUTICAL USES THEREOF LABORATOIRES UPSA (FR) 1997-10-16 WO disclosed