SCHEMBL7139653

SCHEMBL7139653

CCCCCCCCC#CCC#CCCl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
PTPN7 P35236 5/20 0.52
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
USP2 O75604 1/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
ALOX12 P18054 1/20 0.52
BLM P54132 1/20 0.52
KMT2A Q03164 1/20 0.52
MCL1 Q07820 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HMGCR P04035 3/20 0.45
TSHR P16473 3/20 0.40
THRB P10828 1/20 0.36
EPHX2 P34913 3/20 0.36
KCNH2 Q12809 1/20 0.35

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
SCHEMBL7140991 1.00 RECQL (0.55) RECQLTDP1PTPN7ALDH1A1KDM4E
SCHEMBL7139900 1.00 RECQL (0.55) RECQLTDP1PTPN7ALDH1A1KDM4E
SCHEMBL7139482 0.98 PTPN7 (0.53) RECQLTDP1PTPN7ALDH1A1KDM4E
SCHEMBL17184097 0.93 PTPN7 (0.50) RECQLTDP1PTPN7ALDH1A1KDM4E
SCHEMBL17184091 0.93 PTPN7 (0.50) RECQLTDP1PTPN7ALDH1A1KDM4E
SCHEMBL27988146 0.93 PTPN7 (0.50) RECQLTDP1PTPN7ALDH1A1KDM4E
SCHEMBL15756592 0.93 PTPN7 (0.50) RECQLTDP1PTPN7ALDH1A1KDM4E
SCHEMBL17184087 0.93 PTPN7 (0.50) RECQLTDP1PTPN7ALDH1A1KDM4E
SCHEMBL15756656 0.93 PTPN7 (0.50) RECQLTDP1PTPN7ALDH1A1KDM4E
SCHEMBL17184110 0.93 PTPN7 (0.50) RECQLTDP1PTPN7ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6511670-B1 Compounds with shorter alkyl chains such as 3,8-dithia-5-docosynoic acid; treating acne and inflammation disorders; peroxisome proliferator activated receptor activators SOCIETE L'OREAL S.A. (FR) 2003-01-28 US disclosed
US-5310959-A Reacting 1-decyne with 1,4-dihalo-2-butyne using a strong base and then reacting with 5-hexynoic acid; reacting with an amine in the presense of carbonyldiimidazole to amidate CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1994-05-10 US disclosed
US-5268494-A Compound containing conjugated triple bonds CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. (FR) 1993-12-07 US disclosed
US-5151534-A Antiallergens, antiinflammatory agents or skin disorders CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (CIRD) (FR) 1992-09-29 US disclosed
US-5066427-A Skin disorders CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES DITE CIRD (FR) 1991-11-19 US disclosed
US-4877789-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS; SKIN DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES DITE C.I.R.D. (FR) 1989-10-31 US disclosed