SCHEMBL21310157

SCHEMBL21310157

O=C(OCCCN1CCC(F)CC1)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 10/20 0.55
▸ KDM4E B2RXH2 4/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ TEAD3 Q99594 1/20 0.50
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ SIGMAR1 Q99720 2/20 0.47
▸ TMEM97 Q5BJF2 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 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
SCHEMBL6855553 0.82 TEAD3 (0.58) KDM4EALDH1A1LMNATEAD3SIGMAR1
SCHEMBL21243820 0.77 HTT (0.59) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6949170 0.75 ALDH1A1 (0.55) ALDH1A1LMNASMN1; SMN2HTTL3MBTL1
SCHEMBL2896415 0.74 SMN1; SMN2 (0.76) NPC1RAB9ASMN1; SMN2HTTNPSR1
SCHEMBL1222524 0.73 ALDH1A1 (0.59) KDM4EALDH1A1LMNASIGMAR1GAA
SCHEMBL26024996 0.73 MEN1 (0.50) ALDH1A1TEAD3NPC1RAB9ASMN1; SMN2
SCHEMBL6640789 0.73 LMNA (0.64) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL12230203 0.73 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2HTTL3MBTL1
SCHEMBL6942319 0.72 TEAD3 (0.56) KDM4EALDH1A1LMNATEAD3SIGMAR1
SCHEMBL24633513 0.72 SMN1; SMN2 (0.60) BCHEKDM4EALDH1A1LMNANPC1

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
WO-2019165043-A2 INDANE-AMINES AS PD-L1 ANTAGONISTS CHEMOCENTRYX, INC. (US) 2019-08-29 — — WO disclosed
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