SCHEMBL8779434

SCHEMBL8779434

C=C(NC(=O)O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.53
SRD5A2 P31213 1/20 0.52
RAB9A P51151 4/20 0.51
MAPT P10636 2/20 0.51
NPC1 O15118 2/20 0.51
RARB P10826 1/20 0.51
RARG P13631 1/20 0.51
NR1H4 Q96RI1 3/20 0.49
EPHX2 P34913 2/20 0.49
POLB P06746 1/20 0.47
LMNA P02545 2/20 0.46
KCNK9 Q9NPC2 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ESRRG P62508 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44
APEX1 P27695 1/20 0.44

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
SCHEMBL28232672 0.85 HDAC1 (0.53) HDAC1SRD5A2RAB9AMAPTNPC1
SCHEMBL28899288 0.84 KCNK9 (0.56) HDAC1SRD5A2RAB9AMAPTNPC1
SCHEMBL24534543 0.76 HDAC1 (0.56) HDAC1SRD5A2RAB9AMAPTNR1H4
SCHEMBL19240364 0.76 HDAC1 (0.50) HDAC1SRD5A2RAB9AMAPTNPC1
SCHEMBL15074379 0.76 TNF (0.46) HDAC1SRD5A2RAB9AMAPTNPC1
SCHEMBL10705625 0.76 CA12 (0.48) HDAC1RAB9AMAPTNPC1POLB
SCHEMBL5690964 0.76 HDAC1 (0.72) HDAC1SRD5A2RAB9AMAPTNPC1
SCHEMBL14714003 0.75 HDAC1 (0.48) HDAC1SRD5A2RAB9AMAPTNPC1
SCHEMBL4578492 0.75 SRD5A2 (0.57) HDAC1SRD5A2RAB9AMAPTNPC1
SCHEMBL12812534 0.75 MAPT (0.44) RAB9AMAPTNPC1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0396364-B1 Copolymers of vinyl carbonate and vinyl carbamate as contact lens material BAUSCH & LOMB (US) 1997-06-11 EP claimed