SCHEMBL9780443

SCHEMBL9780443

O=C(OCc1ccccc1)c1ccc(-c2ccc(OCCCCCCCCCCCCBr)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.55
SLC6A3 Q01959 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
LMNA P02545 1/20 0.55
HDAC3 O15379 4/20 0.49
HDAC4 P56524 4/20 0.49
HDAC1 Q13547 4/20 0.49
HDAC7 Q8WUI4 4/20 0.49
HDAC2 Q92769 4/20 0.49
HDAC10 Q969S8 4/20 0.49
HDAC11 Q96DB2 4/20 0.49
HDAC8 Q9BY41 4/20 0.49
HDAC6 Q9UBN7 4/20 0.49
HDAC9 Q9UKV0 4/20 0.49
HDAC5 Q9UQL6 4/20 0.49
RARB P10826 3/20 0.49
MAPT P10636 3/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL9629906 0.96 TDP1 (0.59) SLC6A2SLC6A3KMT2ATDP1LMNA
SCHEMBL1241354 0.92 KMT2A (0.61) SLC6A2SLC6A3KMT2ATDP1LMNA
SCHEMBL1242971 0.88 KMT2A (0.63) SLC6A2SLC6A3KMT2ATDP1LMNA
SCHEMBL4815672 0.87 KMT2A (0.61) SLC6A2SLC6A3KMT2ATDP1LMNA
SCHEMBL6029175 0.85 SLC6A2 (0.67) SLC6A2SLC6A3KMT2ATDP1LMNA
SCHEMBL51012 0.85 KMT2A (0.71) SLC6A2SLC6A3KMT2ATDP1LMNA
SCHEMBL21294322 0.84 PPARA (0.63) SLC6A2SLC6A3KMT2ATDP1LMNA
SCHEMBL20672958 0.84 PPARA (0.63) SLC6A2SLC6A3KMT2ATDP1LMNA
SCHEMBL6286657 0.84 KMT2A (0.65) SLC6A2SLC6A3KMT2ATDP1LMNA
SCHEMBL20830500 0.83 TSHR (0.62) SLC6A2SLC6A3KMT2ATDP1LMNA

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-4988460-A HYDROGEN BONDED ADDITION POLYMERS, POLYCARBONATES, POLYESTERS, OR POLYAMIDES, AROMATIC ESTER DERIVATIVES AS LIQUID CRYSTALS IDEMITSU KOSAN COMPANY LIMITED (JP) 1991-01-29 US disclosed
EP-0310081-A2 A ferroelectric liquid-crystalline polymeric composition IDEMITSU KOSAN COMPANY LIMITED (JP) 1989-04-05 EP disclosed
US-4818807-A Liquid-crystalline polymer IDEMITSU KOSAN CO., LTD. (JP) 1989-04-04 US disclosed
EP-0258898-A2 Liquid-crystalline polymer IDEMITSU KOSAN COMPANY LIMITED (JP) 1988-03-09 EP disclosed