SCHEMBL8960012

SCHEMBL8960012

O=C(CCCCCCCCCCC(=O)c1c[nH]c2ccccc12)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.58
CTNNB1 P35222 5/20 0.56
WNT3A P56704 5/20 0.56
LMNA P02545 1/20 0.51
GABRA1 P14867 2/20 0.49
GABRB2 P47870 2/20 0.49
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47

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
SCHEMBL8310815 0.85 SMN1; SMN2 (0.65) ADAM17CTNNB1WNT3ALMNAGABRA1
SCHEMBL9153580 0.83 SMN1; SMN2 (0.66) LMNAMAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL9153271 0.81 SMN1; SMN2 (0.67) LMNAMAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL9154202 0.81 CTNNB1 (0.64) ADAM17CTNNB1WNT3ALMNAGABRA1
SCHEMBL4859074 0.80 CTNNB1 (0.67) ADAM17CTNNB1WNT3ALMNAGABRA1
SCHEMBL9149723 0.80 SMN1; SMN2 (0.73) LMNAMAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL9151008 0.79 CTNNB1 (0.65) ADAM17CTNNB1WNT3ALMNAGABRA1
SCHEMBL3264030 0.79 NR4A2 (0.61) ADAM17CTNNB1WNT3ALMNAGABRA1
SCHEMBL2926392 0.78 ALDH1A1 (0.66) LMNAMAPTKMT2AALDH1A1POLB
SCHEMBL4941879 0.78 ALDH1A1 (0.66) LMNAMAPTKMT2AALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5530019-A FOR TREATMENT OF PROSTATE GLAND DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-06-25 US disclosed
EP-0648208-A1 INDOLE DERIVATIVES AS TESTOSTERONE 5 ALPHA-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-04-19 EP disclosed
WO-1994022821-A1 INDOLE DERIVATIVES AS TESTOSTERONE 5 ALPHA-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed