SCHEMBL8712443

SCHEMBL8712443

C=CP(=O)(O)O.O=P(O)(O)C=Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ALOX15 P16050 1/20 0.48
HDAC1 Q13547 4/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
HDAC4 P56524 3/20 0.42
HDAC3 O15379 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
PLIN1 O60240 2/20 0.42
MAPT P10636 2/20 0.42
RECQL P46063 2/20 0.42
PLIN5 Q00G26 2/20 0.42
ABHD5 Q8WTS1 2/20 0.42
TNKS O95271 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42

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
SCHEMBL233260 0.92 HDAC1 (0.48) TSHRALOX15HDAC1ALDH1A1LMNA
SCHEMBL541471 0.92 HDAC1 (0.48) TSHRALOX15HDAC1ALDH1A1LMNA
Styrene SCHEMBL7612533 0.90 ALDH1A1 (0.54) TSHRALOX15HDAC1ALDH1A1LMNA
SCHEMBL27406196 0.90 HDAC1 (0.47) TSHRALOX15HDAC1ALDH1A1LMNA
SCHEMBL23405490 0.90 HDAC1 (0.46) TSHRALOX15HDAC1ALDH1A1LMNA
SCHEMBL23405502 0.90 HDAC1 (0.46) TSHRALOX15HDAC1ALDH1A1LMNA
SCHEMBL23405477 0.90 HDAC1 (0.46) TSHRALOX15HDAC1ALDH1A1LMNA
Water SCHEMBL9439968 0.90 HDAC1 (0.46) TSHRALOX15HDAC1ALDH1A1LMNA
SCHEMBL28248407 0.84 TSHR (0.38) TSHRALOX15HDAC1ALDH1A1LMNA
Styrene SCHEMBL1402211 0.81 ALDH1A1 (0.64) TSHRALOX15HDAC1ALDH1A1LMNA

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
US-5728756-A BETA-STYRENEPHOSPHONIC ACID-VINYL PHOSPHONIC ACID COPOLYMER FOR ANTIPLAQUE COLGATE PALMOLIVE COMPANY (US) 1998-03-17 US disclosed
US-5344641-A Antibacterial antiplaque oral composition COLGATE-PALMOLIVE CO. (US) 1994-09-06 US disclosed
US-5192530-A Solubilizer, enhancing agent to aid retention, and delivery enhancement COLGATE-PALMOLIVE COMPANY (US) 1993-03-09 US disclosed