SCHEMBL11065609

SCHEMBL11065609

CCOC(=O)Cc1c(C(=O)O)c2c(n1C)C(=O)c1ccc(Cl)cc1CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.39
SLC6A15 Q9H2J7 5/20 0.39
SRD5A1 P18405 2/20 0.39
SRD5A2 P31213 2/20 0.39
LMNA P02545 5/20 0.38
MAPT P10636 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
ALOX15 P16050 2/20 0.38
TSHR P16473 2/20 0.38
CYP2C19 P33261 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
CACNA1F O60840 1/20 0.38
NR1I2 O75469 1/20 0.38
GMNN O75496 1/20 0.38
USP2 O75604 1/20 0.38
ABCB11 O95342 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
SCHEMBL11066911 0.92 KDM1A (0.41) HRH1SLC6A15SRD5A1SRD5A2LMNA
SCHEMBL11068179 0.90 L3MBTL1 (0.45) SRD5A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL11066774 0.90 SRD5A1 (0.43) HRH1SLC6A15SRD5A1SRD5A2AKR1B1
SCHEMBL11065512 0.88 MAPK14 (0.40) SRD5A1LMNAMAPTTSHRCYP2C19
SCHEMBL11060030 0.87 LMNA (0.36) HRH1SLC6A15LMNAMAPTCYP3A4
SCHEMBL11073141 0.86 AKR1B1 (0.42) LMNAMAPTCYP3A4ALOX15SMN1; SMN2
SCHEMBL11068485 0.82 L3MBTL1 (0.42) SRD5A1LMNAMAPTCYP3A4SMN1; SMN2
SCHEMBL11071003 0.80 MAPK14 (0.42) SRD5A1TSHRCYP2C19SMN1; SMN2MEN1
SCHEMBL11070255 0.80 AKR1B1 (0.40) SRD5A1LMNAMAPTCYP2C9MEN1
SCHEMBL11182632 0.80 SMN1; SMN2 (0.35) LMNAMAPTALOX15SMN1; SMN2L3MBTL1

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
US-4444981-A ANTIINFLAMMATORY, ANALGESICS BEECHAM GROUP LIMITED (GB) 1984-04-24 US disclosed
EP-0024807-B1 BENZOCYCLOHEPTAPYRROLEALKANOIC ACIDS AND THEIR DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1983-11-02 EP disclosed