SCHEMBL8437389

SCHEMBL8437389

CCOC(=O)CCCc1ccc2ccc(OC)cc2c1Sc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.50
ALDH1A1 P00352 2/20 0.47
GAA P10253 2/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TUBB4A P04350 4/20 0.45
TUBB P07437 4/20 0.45
TUBA3C P0DPH7 4/20 0.45
TUBA1B P68363 4/20 0.45
TUBA4A P68366 4/20 0.45
TUBB4B P68371 4/20 0.45
TUBB3 Q13509 4/20 0.45
TUBB2A Q13885 4/20 0.45
TUBB8 Q3ZCM7 4/20 0.45
TUBA3E Q6PEY2 4/20 0.45
TUBA1A Q71U36 4/20 0.45
TUBA1C Q9BQE3 4/20 0.45
TUBB6 Q9BUF5 4/20 0.45
TUBB2B Q9BVA1 4/20 0.45

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
SCHEMBL7741712 0.76 MTNR1A (0.60) MTNR1AALDH1A1GAAHPGDNPC1
Hydrochloric Acid SCHEMBL5424364 0.75 MTNR1A (0.50) MTNR1AALDH1A1GAAHPGDNPC1
SCHEMBL4508144 0.74 CYP4F2 (0.49) MTNR1AALDH1A1GAAHPGDNPC1
SCHEMBL11418268 0.73 MTNR1A (0.58) MTNR1AALDH1A1MTNR1BCYP4F2CYP4A11
SCHEMBL8711145 0.73 ALOX5 (0.45) ALDH1A1GAAHPGDNPC1RAB9A
SCHEMBL19763065 0.72 ALDH1A1 (0.61) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL8291691 0.72 MTNR1A (0.64) MTNR1AALDH1A1MTNR1B
SCHEMBL8292283 0.72 CYP2D6 (0.68) MTNR1AALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL9671446 0.72 CYP4F2 (0.47) MTNR1AALDH1A1GAAHPGDNPC1
SCHEMBL11082347 0.72 CYP4F2 (0.47) MTNR1AALDH1A1GAAHPGDNPC1

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-5945561-A ANTIINFLAMMATORY AGENT, RHEUMATIC DISORDERS, SKIN DISORDERS,ANTISCARRING AGENT BRISTOL-MYERS SQUIBB COMPANY (US) 1999-08-31 US disclosed
WO-1998049136-A1 RETINOID-LIKE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-11-05 WO disclosed