SCHEMBL4908052

SCHEMBL4908052

CCCCc1ccc(-c2cccc(N)c2-c2ccc(CCCC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.45
SKP2 Q13309 1/20 0.44
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
RARB P10826 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
TLR8 Q9NR97 1/20 0.40
CA2 P00918 2/20 0.40
HTR2A P28223 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
SCHEMBL4621460 0.83 SKP2 (0.56) HSD11B1SKP2RAB9ASMN1; SMN2NPC1
SCHEMBL28593402 0.82 HSD11B1 (0.50) HSD11B1SKP2RAB9ASMN1; SMN2NPC1
SCHEMBL10705373 0.81 SKP2 (0.45) HSD11B1SKP2RAB9ASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL3547139 0.81 MPL (0.45) HSD11B1SKP2RAB9ASMN1; SMN2NPC1
SCHEMBL28357037 0.81 ELANE (0.46) HSD11B1SMN1; SMN2TP53RARBKDM4E
SCHEMBL27076579 0.81 RARB (0.45) HSD11B1RARBALDH1A1HPGDHSD17B10
SCHEMBL18462104 0.81 HSD11B1 (0.42) HSD11B1RAB9ASMN1; SMN2NPC1TP53
SCHEMBL1033795 0.80 SKP2 (0.44) HSD11B1SKP2RAB9ASMN1; SMN2NPC1
SCHEMBL3688330 0.80 MAOB (0.36) HSD11B1KDM4EALDH1A1HSD17B10MAPT
SCHEMBL8765715 0.79 MAPT (0.46) HSD11B1SKP2RAB9ASMN1; SMN2NPC1

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-8440325-B2 Electronic device CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2013-05-14 US disclosed
US-20080315757-A1 Electronic Device CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2008-12-25 US disclosed