SCHEMBL10695917

SCHEMBL10695917

COc1ccc(CCCC(O)Cc2ccncc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.45
ALOX5 P09917 1/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
ALOX15 P16050 2/20 0.43
IGF1R P08069 1/20 0.43
LMNA P02545 1/20 0.43
SIGMAR1 Q99720 2/20 0.43
CYP2D6 P10635 1/20 0.43
LDHA P00338 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
SLC6A4 P31645 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL10695591 0.84 PTAFR (0.48) KMT2A
SCHEMBL11537099 0.81 CALM1 (0.63) CALM1ALDH1A1KDM4EPOLBALOX5
SCHEMBL10694457 0.80 KMT2A (0.46) TDP1KMT2A
SCHEMBL6570414 0.78 HRH1 (0.50) ALDH1A1LMNACYP2D6TDP1
SCHEMBL8361612 0.78 ALDH1A1 (0.64) CALM1ALDH1A1KDM4EUSP2TSHR
SCHEMBL10643558 0.77 CA1 (0.62) ALDH1A1POLBTSHRCYP2D6LDHA
SCHEMBL10695136 0.76 PTAFR (0.51) KMT2A
SCHEMBL5859651 0.76 LDHA (0.62) CALM1POLBCYP2D6LDHAADRB3
SCHEMBL22431546 0.75 SIGMAR1 (0.76) SIGMAR1MEN1KMT2A
SCHEMBL10696517 0.75 KMT2A (0.49) ALDH1A1KDM4EADRB2ADRB1ADRB3

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
EP-0267439-A2 Alpha-(phenylalkyl) pyridinealkanol derivatives G.D. Searle & Co. (US) 1988-05-18 EP claimed
EP-0267439-A2 Alpha-(phenylalkyl) pyridinealkanol derivatives G.D. Searle & Co. (US) 1988-05-18 EP disclosed