SCHEMBL9691464

SCHEMBL9691464

C/C(=C/C(=O)c1ccccc1)NCCN1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.57
CD274 Q9NZQ7 1/20 0.57
MAPT P10636 3/20 0.57
ALOX12 P18054 1/20 0.57
RAB9A P51151 1/20 0.57
LMNA P02545 2/20 0.55
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.54
EPHX2 P34913 2/20 0.53
CYP2C19 P33261 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP3A4 P08684 1/20 0.52
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL9691470 1.00 HPGD (0.57) HPGDCD274MAPTALOX12RAB9A
SCHEMBL11113425 0.81 TDP1 (0.52) HPGDCD274MAPTLMNAALDH1A1
SCHEMBL487964 0.80 CD274 (0.84) HPGDCD274KMT2AALDH1A1SMN1; SMN2
SCHEMBL10660359 0.76 TDP1 (0.57) HPGDMAPTRAB9ALMNAKMT2A
SCHEMBL16462027 0.75 CD274 (0.76) HPGDCD274KMT2AALDH1A1SMN1; SMN2
SCHEMBL7216434 0.74 LMNA (0.63) HPGDCD274LMNAKMT2AALDH1A1
SCHEMBL9253208 0.73 SMN1; SMN2 (0.78) HPGDCD274MAPTLMNAKMT2A
SCHEMBL11004754 0.73 TDP1 (0.50) HPGDMAPTLMNAALDH1A1KDM4E
SCHEMBL8167646 0.73 CD274 (1.00) HPGDCD274ALDH1A1SMN1; SMN2KDM4E
SCHEMBL21347706 0.73 KMT2A (0.66) HPGDCD274KMT2AALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0171037-B1 3-CARBONYL-1-AMINOALKYL-1H-INDOLES USEFUL AS ANALGESICS AND PREPARATION THEREOF STERLING WINTHROP INC. (US) 1992-06-17 EP disclosed
US-4978664-A Analgesic, anti-rheumatic, and anti-inflammatory agent STERLING DRUG INC. (US) 1990-12-18 US disclosed
US-4885295-A ANALGESICS; ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES STERLING DRUG INC. (US) 1989-12-05 US disclosed
US-RE32761-E ANALGESICS, ANTIRHEUMATIC AND ANTIINFLAMMATORY AGENT STERLING DRUG INC. (US) 1988-10-04 US disclosed
US-4634776-A ANALGESIC, ANTIRHEUMATIC, ANTIINFLAMMATORY STERLING DRUG, INC. (US) 1987-01-06 US disclosed
US-4581354-A ANALGESICS;ANTI-RHEUMATIC AND ANTI-INFLAMMATORY AGENTS STERLING DRUG INC. (US) 1986-04-08 US disclosed