SCHEMBL10492524

SCHEMBL10492524

C=C(C)c1ccc([CH]c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
POLB P06746 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CYP1B1 Q16678 1/20 0.39
HDAC1 Q13547 1/20 0.38
CYP3A4 P08684 2/20 0.38
ALDH1A1 P00352 4/20 0.38
TSHR P16473 2/20 0.38
GLA P06280 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
AKR1C3 P42330 1/20 0.38
ESR1 P03372 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
HPGD P15428 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8583435 0.78 SMN1; SMN2 (0.59) MAPTNPC1RAB9AHDAC1ALDH1A1
Styrene SCHEMBL315930 0.78 ALDH1A1 (0.61) MAPTPOLBNPC1RAB9ACYP1B1
SCHEMBL6577 0.78
Benzene SCHEMBL28197619 0.78 CES2 (0.48) MAPTALDH1A1TSHRESR1KMT2A
SCHEMBL3267692 0.78 CES2 (0.48) MAPTALDH1A1TSHRESR1KMT2A
Hydrogen Peroxide SCHEMBL7249472 0.78 CES2 (0.48) MAPTALDH1A1TSHRESR1KMT2A
SCHEMBL1331472 0.78
SCHEMBL2905282 0.78
SCHEMBL472891 0.78 CES2 (0.48) MAPTALDH1A1TSHRESR1KMT2A
SCHEMBL9449494 0.78 ESR1 (0.57) MAPTPOLBNPC1RAB9AHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4868225-A STERICALLY HINDERED META-PHENYLENEDIAMINE CHAIN EXTENDER FOR POLYURETHANES THE DOW CHEMICAL COMPANY (US) 1989-09-19 US disclosed
US-4866208-A CURING AGENT FOR EPOXY RESINS; EXTENDERS FOR POLYUREA-URETHANE COPOLYMERS THE DOW CHEMICAL COMPANY (US) 1989-09-12 US disclosed
US-4792623-A CURING AGENT, EXTENDER THE DOW CHEMICAL COMPANY (US) 1988-12-20 US disclosed
EP-0082258-A1 Substituted m-phenylenediamines THE DOW CHEMICAL COMPANY (US) 1983-06-29 EP disclosed