SCHEMBL9511070

SCHEMBL9511070

C=CCOC(=O)C(C)CCCCC(C)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
CYP3A4 P08684 4/20 0.46
CYP2C9 P11712 1/20 0.46
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 2/20 0.39
USP2 O75604 3/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
CA1 P00915 2/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
LMNA P02545 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL9508778 0.98 MAPT (0.48) MAPTCYP3A4CYP2C9TDP1TSHR
SCHEMBL9508018 0.98 MAPT (0.48) MAPTCYP3A4CYP2C9TDP1TSHR
SCHEMBL9507562 0.96 MAPT (0.43) MAPTCYP3A4CYP2C9TDP1TSHR
SCHEMBL4957257 0.86 TSHR (0.54) TDP1TSHRALDH1A1HPGDCA1
SCHEMBL8650440 0.84 TSHR (0.57) TDP1TSHRCA1LMNA
SCHEMBL28840191 0.84 TSHR (0.57) TDP1TSHRCA1LMNA
SCHEMBL7165375 0.84 TSHR (0.57) TDP1TSHRCA1LMNA
SCHEMBL12913888 0.84 TSHR (0.51) CYP3A4TDP1TSHRHPGDCA1
SCHEMBL11519762 0.84 TDP1 (0.44) MAPTCYP3A4CYP2C9TDP1TSHR
SCHEMBL18195547 0.81 TSHR (0.57) MAPTCYP3A4CYP2C9TDP1TSHR

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
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
EP-0388960-A1 Optically active compounds and their preparation and use HITACHI, LTD. (JP) 1990-09-26 EP disclosed