SCHEMBL11023640

SCHEMBL11023640

C1=CC(c2cccc3ccccc23)C=C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.48
ALDH1A1 P00352 4/20 0.42
CYP2A6 P11509 3/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
SLC6A4 P31645 4/20 0.41
MTNR1A P48039 2/20 0.41
IDO1 P14902 1/20 0.41
HPGD P15428 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP2 O95551 1/20 0.40
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP3 P42574 1/20 0.40
HTT P42858 1/20 0.40
GALK1 P51570 1/20 0.40

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
SCHEMBL1819081 0.75 KDM4E (0.37) KDM1AALDH1A1SLC6A4MTNR1AIDO1
SCHEMBL27609602 0.75 ALDH1A1 (0.42) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL8658829 0.74 KDM1A (0.42) KDM1AALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL27609395 0.73 UGT2B7 (0.36) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL29492628 0.72 KDM1A (0.41) KDM1AALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL31289355 0.72 CYP2A6 (0.50) KDM1AALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL6762351 0.72 KDM1A (0.49) KDM1AALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL27488610 0.72 KDM1A (0.41) KDM1AALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL28610364 0.71 MTNR1A (0.41) KDM1AALDH1A1HSD17B10SLC6A4MTNR1A
SCHEMBL8008207 0.71 KDM1A (0.43) KDM1AALDH1A1CYP2A6TSHRHSD17B10

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-0029725-B1 POLYMERS CONTAINING CYCLIC ETHER UNITS JOINED THROUGH 2,6-DIYL LINKAGES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-05-02 EP disclosed
EP-0029725-A2 Polymers containing cyclic ether units joined through 2,6-diyl linkages MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1981-06-03 EP disclosed
US-4260702-A RING EXPANDED, EPOXIDIZED POLYALKENAMERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1981-04-07 US disclosed