SCHEMBL9507965

SCHEMBL9507965

CCCCCCCCc1ccc(OC(=O)c2ccc(-c3ccc(O)cc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
RARB P10826 7/20 0.59
ALDH1A1 P00352 2/20 0.59
MEN1 O00255 1/20 0.59
RARA P10276 1/20 0.59
MTOR P42345 1/20 0.59
KMT2A Q03164 1/20 0.59
ESR1 P03372 3/20 0.58
LMNA P02545 3/20 0.58
ADRA2A P08913 2/20 0.58
ADORA3 P0DMS8 2/20 0.58
TACR2 P21452 2/20 0.58
SLC6A2 P23975 2/20 0.58
SLC6A4 P31645 2/20 0.58
SLC6A3 Q01959 2/20 0.58
KDM4E B2RXH2 1/20 0.58
SHBG P04278 1/20 0.58
TP53 P04637 1/20 0.58
CYP3A4 P08684 1/20 0.58

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
SCHEMBL9578514 0.96 ESR1 (0.63) MAPTSMN1; SMN2RARBALDH1A1MEN1
SCHEMBL9735349 0.96 ESR1 (0.63) MAPTSMN1; SMN2RARBALDH1A1MEN1
SCHEMBL2433669 0.96 ESR1 (0.63) MAPTSMN1; SMN2RARBALDH1A1MEN1
SCHEMBL10801643 0.96 ESR1 (0.63) MAPTSMN1; SMN2RARBALDH1A1MEN1
SCHEMBL11551026 0.95 RARB (0.66) MAPTSMN1; SMN2RARBALDH1A1MEN1
SCHEMBL11554229 0.95 RARB (0.66) MAPTSMN1; SMN2RARBALDH1A1MEN1
SCHEMBL11552789 0.95 RARB (0.66) MAPTSMN1; SMN2RARBALDH1A1MEN1
SCHEMBL9856064 0.95 RARB (0.66) MAPTSMN1; SMN2RARBALDH1A1MEN1
SCHEMBL11547546 0.95 RARB (0.66) MAPTSMN1; SMN2RARBALDH1A1MEN1
SCHEMBL11551572 0.95 RARB (0.66) MAPTSMN1; SMN2RARBALDH1A1MEN1

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-0388960-B1 OPTICALLY ACTIVE COMPOUNDS AND THEIR PREPARATION AND USE HITACHI, LTD. (JP) 1993-10-06 EP disclosed
US-5152919-A Stability, chemical resistance, high speed response, large spo ntaneous polarization, molecular orientation and wide temperat ure range HITACHI, LTD. (JP) 1992-10-06 US disclosed